N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C12H17ClF2N2O2S — CID 119669013

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(SC(F)F)cc1.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-18-7-6-15-8-11(17)16-9-2-4-10(5-3-9)19-12(13)14;/h2-5,12,15H,6-8H2,1H3,(H,16,17);1H
InChIKeyVCVHDCYFSKNXGJ-UHFFFAOYSA-N
MW326.80 g/mol
LogP2.60
Rot. Bonds8

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119669013) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119669013
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(SC(F)F)cc1.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-18-7-6-15-8-11(17)16-9-2-4-10(5-3-9)19-12(13)14;/h2-5,12,15H,6-8H2,1H3,(H,16,17);1H
InChIKeyVCVHDCYFSKNXGJ-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558
2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide
CID 119769564
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914909
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
2-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 8560795
2-(2-methoxyethylamino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54819703
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119669013) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1ccc(SC(F)F)cc1.Cl.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is VCVHDCYFSKNXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c1-18-7-6-15-8-11(17)16-9-2-4-10(5-3-9)19-12(13)14;/h2-5,12,15H,6-8H2,1H3,(H,16,17);1H.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119669013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).